| SpectraBase Spectrum ID |
5ykAAjwghsd |
| Name |
(3S,5E)-4,4-Dimethyl-6-[(1'S)-(2',2',3'-trimethylcyclopent-3'-en-1'-yl)]hex-5-en-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.214015521 u |
| Formula |
C16H28O |
| InChI |
InChI=1S/C16H28O/c1-7-14(17)15(3,4)11-10-13-9-8-12(2)16(13,5)6/h8,10-11,13-14,17H,7,9H2,1-6H3/b11-10+/t13-,14-/m0/s1 |
| InChIKey |
FKCQTWVLVNWHPV-NKVPIJFCSA-N |
| Molecular Weight |
236.399 g/mol |
| SMILES |
C1(C(=CC[C@]1(\C=C\C([C@@](O)(CC)[H])(C)C)[H])C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975777 |
![(3S,5E)-4,4-Dimethyl-6-[(1'S)-(2',2',3'-trimethylcyclopent-3'-en-1'-yl)]hex-5-en-3-ol](/api/spectrum/5ykAAjwghsd/structure.png?h=300&w=458 "(3S,5E)-4,4-Dimethyl-6-[(1'S)-(2',2',3'-trimethylcyclopent-3'-en-1'-yl)]hex-5-en-3-ol")
